1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol

C13H19N3O2 — CID 138384814

IUPAC1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
SMILESCOc1ncc(CN2CCCC2C2(O)CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3
InChIKeyJCPIXHIRGIVDCZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds4

About 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol

1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol (PubChem CID 138384814) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
PubChem CID138384814
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol
SMILESCOc1ncc(CN2CCCC2C2(O)CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3
InChIKeyJCPIXHIRGIVDCZ-UHFFFAOYSA-N
XLogP0.97
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol (CID 138384814) is 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol is COc1ncc(CN2CCCC2C2(O)CC2)cn1.
What is the InChIKey of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
The InChIKey is JCPIXHIRGIVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-14-7-10(8-15-12)9-16-6-2-3-11(16)13(17)4-5-13/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol?
1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 138384814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).